(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol

C13H14BrNOS — CID 95027212

IUPAC(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1sccc1Br)c1ccccc1
InChIInChI=1S/C13H14BrNOS/c14-11-6-7-17-13(11)8-15-12(9-16)10-4-2-1-3-5-10/h1-7,12,15-16H,8-9H2/t12-/m0/s1
InChIKeyJREICCIKEFMOKF-LBPRGKRZSA-N
MW312.23 g/mol
LogP3.33
Rot. Bonds5

About (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol

(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol (PubChem CID 95027212) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
PubChem CID95027212
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
SMILESOC[C@H](NCc1sccc1Br)c1ccccc1
InChIInChI=1S/C13H14BrNOS/c14-11-6-7-17-13(11)8-15-12(9-16)10-4-2-1-3-5-10/h1-7,12,15-16H,8-9H2/t12-/m0/s1
InChIKeyJREICCIKEFMOKF-LBPRGKRZSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
(3R)-3-[(3-chlorothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 100697175
(2R)-2-phenyl-2-(thiophen-3-ylmethylamino)ethanol
CID 103766360
4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
CID 64500989
(1R)-1-(3-bromophenyl)-N-[(3-bromothiophen-2-yl)methyl]ethanamine
CID 81382475
(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol
CID 86786798
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
3-bromo-4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoic acid
CID 122437638
3-(3-bromothiophen-2-yl)-2-phenylpropanoic acid
CID 65430568
(2S)-2-[(3-chlorothiophen-2-yl)methylamino]-2-thiophen-3-ylethanol
CID 100697818
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-phenylethanol
CID 63182463

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol (CID 95027212) is (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol is OC[C@H](NCc1sccc1Br)c1ccccc1.
What is the InChIKey of (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol?
The InChIKey is JREICCIKEFMOKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14BrNOS/c14-11-6-7-17-13(11)8-15-12(9-16)10-4-2-1-3-5-10/h1-7,12,15-16H,8-9H2/t12-/m0/s1.
What are the key properties of (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol?
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol has a molecular weight of 312.23 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol is sourced from PubChem (CID 95027212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).